N,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide

C16H27N3O — CID 81243094

IUPACN,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)N(C)C(C)CCC
InChIInChI=1S/C16H27N3O/c1-6-8-13(4)19(5)16(20)14-11-18-12(3)10-15(14)17-9-7-2/h10-11,13H,6-9H2,1-5H3,(H,17,18)
InChIKeyHJUVFWYZZSYTKE-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.47
Rot. Bonds7

About N,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide

N,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81243094) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide
PubChem CID81243094
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)N(C)C(C)CCC
InChIInChI=1S/C16H27N3O/c1-6-8-13(4)19(5)16(20)14-11-18-12(3)10-15(14)17-9-7-2/h10-11,13H,6-9H2,1-5H3,(H,17,18)
InChIKeyHJUVFWYZZSYTKE-UHFFFAOYSA-N
XLogP3.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 81237786
N,6-dimethyl-N-(2-methylpropyl)-4-(propylamino)pyridine-3-carboxamide
CID 81236127
4-(ethylamino)-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 81235846
N-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide
CID 81240756
4-(ethylamino)-N,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 112664208
4-hydrazinyl-N,6-dimethyl-N-(4-methylpentan-2-yl)pyridine-3-carboxamide
CID 81255755
N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide
CID 81243343
N-butan-2-yl-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 81256038
6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238236
N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235324
N-[1-(ethylamino)-1-oxopropan-2-yl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81238499
6-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237526

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide (CID 81243094) is N,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide is CCCNc1cc(C)ncc1C(=O)N(C)C(C)CCC.
What is the InChIKey of N,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is HJUVFWYZZSYTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-8-13(4)19(5)16(20)14-11-18-12(3)10-15(14)17-9-7-2/h10-11,13H,6-9H2,1-5H3,(H,17,18).
What are the key properties of N,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide?
N,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81243094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).